MMM DDWG Kick-off Meeting Introduction to our Kick-off Meeting: 11 May 2020 Agenda (click on the link to view recording) ExCALIBUR overview Simon McIntosh-SmithMaterials and Molecular Modelling Exascale DDWG Scott WoodleyMMM Exascale DDWG Challenge“Large single calculations – the scaling out challenge” Ian Bush“Complex workflows challenge” Thomas Keal“I/O Exascale” Alin Marin Elena“ExCALIBUR challenges”, Andrew TurnerExCALIBUR hardware pilots Jeremy YatesShort presentations from related initiatives:“A Brief Introduction to MAX”Andrea Ferretti, MAX“Scientific software and libraries for electronic structure community” Anton Kozhevnikov, CSCS / ETH Zurich “NAG and POP” Craig Lucas, NAG“The MolSSI Driver Interface project” Taylor Barnes, MolSSI“Library Developments for Electronic Structure Based Simulations”Volker Blum, Duke University
